2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide

C14H23N3O3S — CID 115992523

IUPAC2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide
SMILESCCCOC1CCCN(c2cccc(S(N)(=O)=O)c2N)C1
InChIInChI=1S/C14H23N3O3S/c1-2-9-20-11-5-4-8-17(10-11)12-6-3-7-13(14(12)15)21(16,18)19/h3,6-7,11H,2,4-5,8-10,15H2,1H3,(H2,16,18,19)
InChIKeyNLJVNMYAUYPREV-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.31
Rot. Bonds5

About 2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide

2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide (PubChem CID 115992523) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide
PubChem CID115992523
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide
SMILESCCCOC1CCCN(c2cccc(S(N)(=O)=O)c2N)C1
InChIInChI=1S/C14H23N3O3S/c1-2-9-20-11-5-4-8-17(10-11)12-6-3-7-13(14(12)15)21(16,18)19/h3,6-7,11H,2,4-5,8-10,15H2,1H3,(H2,16,18,19)
InChIKeyNLJVNMYAUYPREV-UHFFFAOYSA-N
XLogP1.31
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine
CID 54989682
2-[2-chloro-6-(3-propoxypiperidin-1-yl)phenyl]ethanamine
CID 63787232
4-bromo-2-(3-propoxypiperidin-1-yl)aniline
CID 65343390
5-bromo-2-(3-propoxypiperidin-1-yl)aniline
CID 54985623
2-amino-3-(3,4-dimethylpyrrolidin-1-yl)benzenesulfonamide
CID 112674981
5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide
CID 79900397
4-(3-propoxypiperidin-1-yl)-1H-pyrazol-5-amine
CID 82239108
3-(3-ethoxypiperidin-1-yl)-2-nitroaniline
CID 80805662
2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide
CID 115992384
3-bromo-4-(3-propoxypiperidin-1-yl)benzenecarboximidamide
CID 82800266
2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide
CID 104957789
2-amino-3-(3,3-dimethylpiperidin-1-yl)benzenesulfonamide
CID 112674926

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide?
The IUPAC name of 2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide (CID 115992523) is 2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide is CCCOC1CCCN(c2cccc(S(N)(=O)=O)c2N)C1.
What is the InChIKey of 2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide?
The InChIKey is NLJVNMYAUYPREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-9-20-11-5-4-8-17(10-11)12-6-3-7-13(14(12)15)21(16,18)19/h3,6-7,11H,2,4-5,8-10,15H2,1H3,(H2,16,18,19).
What are the key properties of 2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide?
2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-propoxypiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 115992523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).